2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

C10H13F2NO3S — CID 74225327

IUPAC2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO3S/c1-13(5-6-16-2)17(14,15)10-4-3-8(11)7-9(10)12/h3-4,7H,5-6H2,1-2H3
InChIKeyJPLPDAKUCGALLJ-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.23
Rot. Bonds5

About 2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide

2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (PubChem CID 74225327) has the molecular formula C10H13F2NO3S and a molecular weight of 265.28 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
PubChem CID74225327
Molecular FormulaC10H13F2NO3S
Molecular Weight265.28 g/mol
Exact Mass265.06
IUPAC Name2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
SMILESCOCCN(C)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO3S/c1-13(5-6-16-2)17(14,15)10-4-3-8(11)7-9(10)12/h3-4,7H,5-6H2,1-2H3
InChIKeyJPLPDAKUCGALLJ-UHFFFAOYSA-N
XLogP1.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 106441786
2,4-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54999282
2,4-difluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 78870952
4-(chloromethyl)-2-fluoro-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 79187004
N-(6-bromo-2-pyridinyl)-2,4-difluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 75504341
2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 47305772
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 81062736
4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 62986221
4-bromo-2-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61060615
2-amino-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61125296
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 62686438
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide (CID 74225327) is 2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is COCCN(C)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is JPLPDAKUCGALLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO3S/c1-13(5-6-16-2)17(14,15)10-4-3-8(11)7-9(10)12/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide?
2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 265.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 74225327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).